methyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate

C8H11FN2O2 — CID 58083503

IUPACmethyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(F)c1C(=O)OC
InChIInChI=1S/C8H11FN2O2/c1-4-11-7(8(12)13-3)6(9)5(2)10-11/h4H2,1-3H3
InChIKeyMBDCXJVAJHVZJI-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.14
Rot. Bonds2

About methyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate

methyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate (PubChem CID 58083503) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is methyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate
PubChem CID58083503
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Namemethyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(F)c1C(=O)OC
InChIInChI=1S/C8H11FN2O2/c1-4-11-7(8(12)13-3)6(9)5(2)10-11/h4H2,1-3H3
InChIKeyMBDCXJVAJHVZJI-UHFFFAOYSA-N
XLogP1.14
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate
CID 1229863
1,3-Dimethyl-5-ethoxycarbonylpyrazole
CID 138576
1,5-Dimethyl-3-ethoxycarbonylpyrazole
CID 138577
Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate
CID 517746
ethyl 4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxylate
CID 719633
1-Methyl-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester
CID 12563617
Ethyl 4-formyl-1,3-dimethyl-1H-pyrazole-5-carboxylate
CID 22356652
Methyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
CID 56723871
methyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate
CID 83387443
methyl 1,5-dimethyl-1H-pyrazole-3-carboxylate
CID 2755339
Ethyl 1-isopropyl-5-methyl-1H-pyrazole-3-carboxylate
CID 23005696
ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
CID 7022226

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate (CID 58083503) is methyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate is CCn1nc(C)c(F)c1C(=O)OC.
What is the InChIKey of methyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate?
The InChIKey is MBDCXJVAJHVZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-4-11-7(8(12)13-3)6(9)5(2)10-11/h4H2,1-3H3.
What are the key properties of methyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate?
methyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate has a molecular weight of 186.19 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-4-fluoro-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 58083503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).